SCHEMBL5535277

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

	Compound	similarity	top predicted	shared targets
	SCHEMBL13790263	0.78	AHR (0.68)	NQO2CYP1A2PTGS1AHRFBP1
	SCHEMBL13790273	0.78	AHR (0.68)	NQO2CYP1A2PTGS1AHRFBP1
	SCHEMBL22931544	0.78	AHR (0.68)	NQO2CYP1A2PTGS1AHRFBP1
	SCHEMBL2096662	0.78	CYP1A2 (0.52)	NQO2CYP1A2PTGS1AHRFBP1
	SCHEMBL63468	0.76	ALDH1A1 (0.67)	ALDH1A1TSHRKIF11CES2CES1
	SCHEMBL27665898	0.76	FBP1 (0.52)	NQO2CYP1A2PTGS1AHRFBP1
	SCHEMBL5535278	0.76	CYP1A2 (0.50)	NQO2CYP1A2PTGS1AHRFBP1
	SCHEMBL29507308	0.76	AHR (0.65)	NQO2CYP1A2PTGS1AHRFBP1
	SCHEMBL543031	0.76	CYP1A2 (0.56)	NQO2CYP1A2PTGS1AHRFBP1
	SCHEMBL637115	0.74	CYP1A2 (0.48)	NQO2CYP1A2PTGS1AHRFBP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.